Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: >97%
- Inventory rows with stock: 13
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 5 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 5 In Stock | Shanghai | Inquiry |
| 500g | -- | 2 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 2 In Stock | Beijing | Inquiry |
| 1000g | -- | 1 In Stock | Shanghai | Inquiry |
67911-21-1 / 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
Basic Information
CAS
67911-21-1
Multi CAS
Yes
Molecular Formula
C7H8O3
Molecular Weight
140.140000
Exact Mass
140.047344
InChI
InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3
InChIKey
QKAHKEDLPBJLFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
H-bond acceptors
3
Molar refractivity
31.86
TPSA
43.37
LogP / Solubility
WLOGP
0.34
MLOGP
0.29
XLogP3
0.6
Consensus LogP
0.41
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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